HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=960",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=958",
"results": [
{
"id": "jvasp-23",
"created_at": "2022-09-04T14:38:05.049209Z",
"updated_at": "2022-09-04T14:38:05.049225Z",
"structure_string": "Cd1 Te1\n1.0\n4.031380 -0.000000 2.327519\n1.343793 3.800821 2.327519\n-0.000000 -0.000000 4.655036\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 5.587609487030891,
"density_atomic": 0.028039857218577418,
"volume": 71.32703937860738,
"volume_molar": 21.47707355660183,
"formula_full": "Cd1 Te1",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2668792555555556,
"spacegroup": 216
},
{
"id": "jvasp-18207",
"created_at": "2022-09-04T14:38:11.891023Z",
"updated_at": "2022-09-04T14:38:11.891039Z",
"structure_string": "Zr1 Co1 Sb1\n1.0\n3.870930 -0.000000 2.234882\n1.290310 3.649548 2.234882\n-0.000000 -0.000000 4.469764\nZr Co Sb\n1 1 1\ndirect\n0.500000 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.249999 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Sb"
],
"chemical_system": "Co-Sb-Zr",
"density": 7.150670689245069,
"density_atomic": 0.04750969731861362,
"volume": 63.14500342700864,
"volume_molar": 12.675603297604278,
"formula_full": "Zr1 Co1 Sb1",
"formula_reduced": "ZrCoSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.770020500000001,
"spacegroup": 216
},
{
"id": "jvasp-45239",
"created_at": "2022-09-04T14:38:05.340933Z",
"updated_at": "2022-09-04T14:38:05.340959Z",
"structure_string": "Li5 V4 O8\n1.0\n5.934334 0.018051 0.010923\n2.950549 5.157950 0.007947\n2.953995 1.735802 4.856223\nLi V O\n5 4 8\ndirect\n0.979155 0.980786 0.061065 Li\n0.980849 0.979204 0.478927 Li\n0.561056 0.978965 0.479179 Li\n0.125002 0.125009 0.625005 Li\n0.978935 0.561069 0.480854 Li\n0.500048 0.000506 -0.000548 V\n0.499454 0.499974 0.000051 V\n0.000513 0.500043 -0.000022 V\n0.499980 0.499459 0.500508 V\n0.253944 0.739899 0.752399 O\n0.746151 0.746832 0.760958 O\n0.746060 0.260959 0.246826 O\n0.746824 0.746139 0.246056 O\n0.260959 0.746055 0.246148 O\n0.252398 0.253767 0.753933 O\n0.739896 0.253947 0.753766 O\n0.253766 0.252382 0.239897 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.106328706561537,
"density_atomic": 0.114714841714433,
"volume": 148.19355321362156,
"volume_molar": 5.249661395158703,
"formula_full": "Li5 V4 O8",
"formula_reduced": "Li5V4O8",
"formula_anonymous": "A4B5C8",
"energy_above_hull": 2.8277826352941173,
"spacegroup": 216
},
{
"id": "jvasp-37027",
"created_at": "2022-09-04T14:38:05.548441Z",
"updated_at": "2022-09-04T14:38:05.548463Z",
"structure_string": "Ti1 Ga1 Fe1 Co1\n1.0\n2.898677 2.898677 0.000000\n2.898677 -0.000000 -2.898677\n-0.000000 2.898677 -2.898677\nTi Ga Fe Co\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Ga\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ti",
"Ga",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Ga-Ti",
"density": 7.921297285234834,
"density_atomic": 0.08211651731421374,
"volume": 48.71127187109323,
"volume_molar": 7.333653395158801,
"formula_full": "Ti1 Ga1 Fe1 Co1",
"formula_reduced": "TiGaFeCo",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.398524264583333,
"spacegroup": 216
},
{
"id": "jvasp-40766",
"created_at": "2022-09-04T14:38:05.786835Z",
"updated_at": "2022-09-04T14:38:05.786862Z",
"structure_string": "Zr1 Fe1 Se1\n1.0\n3.581294 0.000000 2.067661\n1.193764 3.376476 2.067661\n-0.000000 -0.000000 4.135322\nZr Fe Se\n1 1 1\ndirect\n0.499999 0.500001 0.500000 Zr\n0.249999 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-Zr",
"density": 7.505857016083154,
"density_atomic": 0.05999406380275135,
"volume": 50.00494732051171,
"volume_molar": 10.037894382016878,
"formula_full": "Zr1 Fe1 Se1",
"formula_reduced": "ZrFeSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4970511222222216,
"spacegroup": 216
},
{
"id": "jvasp-38004",
"created_at": "2022-09-04T14:38:06.297332Z",
"updated_at": "2022-09-04T14:38:06.297347Z",
"structure_string": "Li6 P1 S5 Br1\n1.0\n5.092644 5.092644 -0.000000\n5.092644 -0.000000 -5.092644\n-0.000000 5.092644 -5.092644\nLi P S Br\n6 1 5 1\ndirect\n0.023282 0.476718 0.023282 Li\n0.476718 0.023282 0.476718 Li\n0.023282 0.476718 0.476718 Li\n0.476718 0.023282 0.023282 Li\n0.023282 0.023282 0.476718 Li\n0.476718 0.476718 0.023282 Li\n0.500000 0.500000 0.500000 P\n0.616754 0.616754 0.149735 S\n0.616754 0.149735 0.616754 S\n0.149735 0.616754 0.616754 S\n0.616754 0.616754 0.616754 S\n0.250000 0.250000 0.250000 S\n0.000000 0.000000 0.000000 Br\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"P",
"S",
"Br"
],
"chemical_system": "Br-Li-P-S",
"density": 1.9666342056114832,
"density_atomic": 0.04921340368874698,
"volume": 264.15567763244445,
"volume_molar": 12.236789794275108,
"formula_full": "Li6 P1 S5 Br1",
"formula_reduced": "Li6PS5Br",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 1.4717638157692308,
"spacegroup": 216
},
{
"id": "jvasp-37032",
"created_at": "2022-09-04T14:38:06.356478Z",
"updated_at": "2022-09-04T14:38:06.356503Z",
"structure_string": "Ti1 Fe1 Co1 Si1\n1.0\n2.862195 2.862195 0.000000\n2.862195 0.000000 -2.862195\n0.000000 2.862195 -2.862195\nTi Fe Co Si\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Co",
"Si"
],
"chemical_system": "Co-Fe-Si-Ti",
"density": 6.753704224267911,
"density_atomic": 0.08529672165039458,
"volume": 46.89512003046012,
"volume_molar": 7.060225344513158,
"formula_full": "Ti1 Fe1 Co1 Si1",
"formula_reduced": "TiFeCoSi",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.258398333333333,
"spacegroup": 216
},
{
"id": "jvasp-40770",
"created_at": "2022-09-04T14:38:06.757226Z",
"updated_at": "2022-09-04T14:38:06.757245Z",
"structure_string": "Y1 Cd1 Ga1\n1.0\n4.223800 -0.000000 2.438613\n1.407933 3.982238 2.438613\n-0.000000 0.000000 4.877226\nY Cd Ga\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Cd\n0.499999 0.500000 0.500000 Ga\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Y",
"density": 5.486290594864362,
"density_atomic": 0.03656939843785514,
"volume": 82.03580392765016,
"volume_molar": 16.467705287069002,
"formula_full": "Y1 Cd1 Ga1",
"formula_reduced": "YCdGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1604891749999998,
"spacegroup": 216
},
{
"id": "jvasp-64674",
"created_at": "2022-09-04T14:38:07.002640Z",
"updated_at": "2022-09-04T14:38:07.002663Z",
"structure_string": "Ba4 Ti1 Sb1\n1.0\n0.000000 4.983272 4.983272\n4.983272 0.000000 4.983272\n4.983272 4.983272 0.000000\nBa Ti Sb\n4 1 1\ndirect\n0.127035 0.624321 0.624321 Ba\n0.624321 0.624321 0.624321 Ba\n0.624321 0.127035 0.624321 Ba\n0.624321 0.624321 0.127035 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Sb"
],
"chemical_system": "Ba-Sb-Ti",
"density": 4.823529628315608,
"density_atomic": 0.024242504030366114,
"volume": 247.49918541766195,
"volume_molar": 24.841248876174994,
"formula_full": "Ba4 Ti1 Sb1",
"formula_reduced": "Ba4TiSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9218363855555556,
"spacegroup": 216
},
{
"id": "jvasp-64532",
"created_at": "2022-09-04T14:38:07.068433Z",
"updated_at": "2022-09-04T14:38:07.068455Z",
"structure_string": "Ba4 Sb1 Cl1\n1.0\n0.000000 4.966721 4.966721\n4.966721 -0.000000 4.966721\n4.966721 4.966721 0.000000\nBa Sb Cl\n4 1 1\ndirect\n0.121895 0.626035 0.626035 Ba\n0.626035 0.626035 0.626035 Ba\n0.626035 0.121895 0.626035 Ba\n0.626035 0.626035 0.121895 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Cl"
],
"chemical_system": "Ba-Cl-Sb",
"density": 4.787787678569493,
"density_atomic": 0.024485668230076477,
"volume": 245.041301042788,
"volume_molar": 24.594553448220072,
"formula_full": "Ba4 Sb1 Cl1",
"formula_reduced": "Ba4SbCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.08827234125,
"spacegroup": 216
},
{
"id": "jvasp-64951",
"created_at": "2022-09-04T14:38:07.122361Z",
"updated_at": "2022-09-04T14:38:07.122391Z",
"structure_string": "Be1 Ga4 Pd1\n1.0\n-0.000000 3.698980 3.698980\n3.698980 0.000000 3.698980\n3.698980 3.698980 -0.000000\nBe Ga Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.375013 0.375013 0.375013 Ga\n0.375013 0.874961 0.375013 Ga\n0.375013 0.375013 0.874961 Ga\n0.874961 0.375013 0.375013 Ga\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Pd"
],
"chemical_system": "Be-Ga-Pd",
"density": 6.46884229403882,
"density_atomic": 0.059275510821812406,
"volume": 101.2222402947576,
"volume_molar": 10.159576318292903,
"formula_full": "Be1 Ga4 Pd1",
"formula_reduced": "BeGa4Pd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3831001833333335,
"spacegroup": 216
},
{
"id": "jvasp-40769",
"created_at": "2022-09-04T14:38:07.165687Z",
"updated_at": "2022-09-04T14:38:07.165710Z",
"structure_string": "Ta1 Mn1 As1\n1.0\n3.708150 -0.000001 2.140901\n1.236049 3.496078 2.140901\n-0.000001 -0.000000 4.281802\nTa Mn As\n1 1 1\ndirect\n0.249999 0.250001 0.250000 Ta\n0.500001 0.499999 0.499999 Mn\n0.999999 0.000001 -0.000000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"As"
],
"chemical_system": "As-Mn-Ta",
"density": 9.297700119118481,
"density_atomic": 0.05404508035732075,
"volume": 55.509215272979624,
"volume_molar": 11.142810261700838,
"formula_full": "Ta1 Mn1 As1",
"formula_reduced": "TaMnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 4.06390273045977,
"spacegroup": 216
}
]
}